2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C18H17FN2O2S2 — CID 121084948

IUPAC2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C18H17FN2O2S2/c19-17-7-1-2-8-18(17)25(22,23)21(11-9-16-6-4-12-24-16)14-15-5-3-10-20-13-15/h1-8,10,12-13H,9,11,14H2
InChIKeyIPQDZMVXVGBUMC-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.72
Rot. Bonds7

About 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 121084948) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID121084948
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC Name2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C18H17FN2O2S2/c19-17-7-1-2-8-18(17)25(22,23)21(11-9-16-6-4-12-24-16)14-15-5-3-10-20-13-15/h1-8,10,12-13H,9,11,14H2
InChIKeyIPQDZMVXVGBUMC-UHFFFAOYSA-N
XLogP3.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085011
3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084985
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084971
2-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)ethenesulfonamide
CID 71960546
2-[(2-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167877301
2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9302359
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904
N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110424688

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 121084948) is 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is IPQDZMVXVGBUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c19-17-7-1-2-8-18(17)25(22,23)21(11-9-16-6-4-12-24-16)14-15-5-3-10-20-13-15/h1-8,10,12-13H,9,11,14H2.
What are the key properties of 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 121084948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).